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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
- B. Brooks, R. Bruccoleri, B. D. Olafson, D. States, S. Swaminathan, M. Karplus
- Chemistry
- 1 June 1983
CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a highly flexible computer program which uses empirical energy functions to model macromolecular systems. The program can read or model build…
All-atom empirical potential for molecular modeling and dynamics studies of proteins.
- Alexander D. MacKerell, D. Bashford, M. Karplus
- ChemistryThe journal of physical chemistry. B
- 14 April 1998
TLDR
CHARMM: The biomolecular simulation program
- B. Brooks, C. Brooks, M. Karplus
- ChemistryJ. Comput. Chem.
- 30 July 2009
TLDR
Evaluation of comparative protein modeling by MODELLER
- A. Sali, Liz Potterton, F. Yuan, H. V. van Vlijmen, M. Karplus
- Biology, ChemistryProteins
- 1 November 1995
We evaluate 3D models of human nucleoside diphosphate kinase, mouse cellular retinoic acid binding protein I, and human eosinophil neurotoxin that were calculated by MODELLER, a program for…
Effective energy function for proteins in solution
- T. Lazaridis, M. Karplus
- ChemistryProteins
- 1 May 1999
TLDR
Crystallographic R Factor Refinement by Molecular Dynamics
- Axel T. BR�NGER, J. Kuriyan, M. Karplus
- ChemistryScience
- 23 January 1987
TLDR
Molecular dynamics simulations of biomolecules
- M. Karplus, J. Mccammon
- Biology, ChemistryNature Structural Biology
- 1 September 2002
TLDR
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model.
- D. Bashford, M. Karplus
- ChemistryBiochemistry
- 6 November 1990
TLDR
CHARMM: The Energy Function and Its Parameterization
- Alexander D. MacKerell, B. Brooks, M. Karplus
- Physics
- 15 April 2002
Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor.
- B. Brooks, M. Karplus
- Physics, ChemistryProceedings of the National Academy of Sciences…
- 1 November 1983
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